8-[4-(2-adamantyl)piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-(2-adamantyl)piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-(2-adamantyl)piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-(2-adamantyl)-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-(2-adamantyl)piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-(2-adamantyl)piperazino]sulfonylquinoline Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C23H29N3O2S/c27-29(28,21-5-1-3-18-4-2-6-24-22(18)21)26-9-7-25(8-10-26)23-19-12-16-11-17(14-19)15-20(23)13-16/h1-6,16-17,19-20,23H,7-15H2